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physics.comp-ph2018
Moment tensor Potentials as a Promising Tool to Study Diffusion Processes
I. I. Novoselov, A. V. Yanilkin, A. V. Shapeev +1
A recently proposed class of machine-learning interatomic potentials --- Moment tensor potentials (MTPs) --- is investigated in this work. MTPs are able to actively select configur…
physics.comp-ph2018
Improving accuracy of interatomic potentials: more physics or more data? A case study of silica
Ivan S. Novikov, Alexander V. Shapeev
In this paper we test two strategies to improving the accuracy of machine-learning potentials, namely adding more fitting parameters thus making use of large volumes of available q…